4-[(2S)-2-azanyl-3-oxidanylidene-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-azanyl-3-oxidanylidene-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzenecarbonitrile Openeye Name: 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)-1-piperidyl]propyl]benzonitrile CAS Name: 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)-1-piperidinyl]propyl]benzonitrile IUPAC Name: 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzonitrile Traditional Name: 4-[(2S)-2-amino-3-keto-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidino]propyl]benzonitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC=C(N2)C3=CC=CC=C3)C(=O)C(CC4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC=C(N2)C3=CC=CC=C3)C(=O)[C@H](CC4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C24H25N5O/c25-15-18-11-9-17(10-12-18)14-20(26)24(30)29-13-5-4-8-22(29)23-27-16-21(28-23)19-6-2-1-3-7-19/h1-3,6-7,9-12,16,20,22H,4-5,8,13-14,26H2,(H,27,28)/t20-,22-/m0/s1